dkoes / rdkit-scripts Public

A collection of cheminformatics scripts that use rdkit

bits.csb.pitt.edu

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Name		Name	Last commit message	Last commit date
Latest commit History 20 Commits
LICENSE		LICENSE
README.md		README.md
alignmcs.py		alignmcs.py
applysdfcoordstopdb.py		applysdfcoordstopdb.py
clustermatches.py		clustermatches.py
corerxnscaffold.py		corerxnscaffold.py
extractmatch.py		extractmatch.py
extractmatches.py		extractmatches.py
flipchiral.py		flipchiral.py
pains.py		pains.py
rdallconf.py		rdallconf.py
rdconf.py		rdconf.py
rdmin.py		rdmin.py
rdsim.py		rdsim.py
shape.py		shape.py
uffminimize.py		uffminimize.py